LAMMPS damp and timesteps for overdamped limit

Hi @ShuvadipDutta,

I think your issue relies mostly with how one goes back and forth with the reduced units in molecular simulation. This is not specifically related to LAMMPS but how you put down and explain your problem. I suggest you read this discussion on the topic where we explained in detail how to use reduced units and compare them back to physical results. You might see why your question 3 and 4 do not makes much sense without additional details.

The results you’ll get and the underlying physics will also depends on how you set you simulation up and which models (that also includes thermostat, integration scheme etc.) you use.

It will be hard for the discussion to go any further without any actual simulation detail and a clearer view of what you are trying to achieve.

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